octane;pentane

C13H30 — CID 19101448

IUPACoctane;pentane
SMILESCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C5H12/c1-3-5-7-8-6-4-2;1-3-5-4-2/h3-8H2,1-2H3;3-5H2,1-2H3
InChIKeyNMMJBCKZPPYIJL-UHFFFAOYSA-N
MW186.38 g/mol
LogP5.56
Rot. Bonds7

About octane;pentane

octane;pentane (PubChem CID 19101448) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is octane;pentane.

Molecular Properties

Compound Nameoctane;pentane
PubChem CID19101448
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameoctane;pentane
SMILESCCCCC.CCCCCCCC
InChIInChI=1S/C8H18.C5H12/c1-3-5-7-8-6-4-2;1-3-5-4-2/h3-8H2,1-2H3;3-5H2,1-2H3
InChIKeyNMMJBCKZPPYIJL-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

heptane;hexane;octane;pentane
CID 159214735
tetrakis(nonane);bis(pentane)
CID 158390230
ethane;heptane;pentane
CID 142269041
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of octane;pentane?
The IUPAC name of octane;pentane (CID 19101448) is octane;pentane.
What is the SMILES notation for octane;pentane?
The canonical SMILES for octane;pentane is CCCCC.CCCCCCCC.
What is the InChIKey of octane;pentane?
The InChIKey is NMMJBCKZPPYIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C5H12/c1-3-5-7-8-6-4-2;1-3-5-4-2/h3-8H2,1-2H3;3-5H2,1-2H3.
What are the key properties of octane;pentane?
octane;pentane has a molecular weight of 186.38 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octane;pentane is sourced from PubChem (CID 19101448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).